HCID136026980

3-(1H-1,2,3-benzotriazol-1-ylmethyl)-6-butyl-2-methyl-5-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}pyrimidin-4(3H)-one

3-[2-[4-[[1-(benzotriazol-1-ylmethyl)-4-butyl-2-methyl-6-oxopyrimidin-5-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one

C31H29N7O3547.6 g/mol

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IDENTITY

结构与身份

标准SMILES: CCCCc1nc(C)n(Cn2nnc3ccccc32)c(=O)c1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1
InChIKey: FGQSYZFNKBBNME-UHFFFAOYSA-N
分子式: C31H29N7O3
平均分子量: 547.6 g/mol
单同位素质量: 547.23318781

COMPUTED

结构计算性质

已同步

XLogP: 5.1
极性表面积: 114 Å²
氢键供体: 1
氢键受体: 7
可旋转键: 9
重原子: 41
形式电荷: 0
复杂度: 1,080

ALIASES

名称与别名

共 3 条

SCHEMBL1896287FGQSYZFNKBBNME-UHFFFAOYSA-N3-(1H-1,2,3-benzotriazol-1-ylmethyl)-6-butyl-2-methyl-5-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}pyrimidin-4(3H)-one

REACTIONS